Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 2/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8194454 | 0.96 | TACR1 (0.38) | TACR1DRD4HCRTR1HCRTR2NR1H2 | |
| SCHEMBL8194349 | 0.93 | TACR1 (0.37) | TACR1PAX8 | |
| SCHEMBL8193750 | 0.91 | TACR1 (0.38) | TACR1SMN1; SMN2ALDH1A1RIPK3CETP | |
| SCHEMBL8718133 | 0.85 | TACR1 (0.38) | TACR1DRD4HCRTR1HCRTR2SMN1; SMN2 | |
| SCHEMBL8204411 | 0.85 | TACR1 (0.38) | TACR1DRD4HCRTR1HCRTR2SMN1; SMN2 | |
| SCHEMBL8201999 | 0.85 | GRIN2D (0.36) | TACR1HCRTR1HCRTR2SMN1; SMN2POLB | |
| SCHEMBL8201267 | 0.83 | TACR1 (0.34) | TACR1 | |
| SCHEMBL8204408 | 0.82 | TACR1 (0.37) | TACR1CASRCETP | |
| SCHEMBL8201260 | 0.82 | TACR1 (0.37) | TACR1CASRCETP | |
| SCHEMBL8201401 | 0.81 | GRIN2D (0.35) | TACR1DRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080740-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-27 | — | — | US | claimed |
| US-6080740-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-27 | — | — | US | disclosed |